SCHEMBL12447824

SCHEMBL12447824

O=C(OC1OC(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.44
▸ LGALS1 P09382 1/20 0.44
▸ LGALS3 P17931 1/20 0.44
▸ LGALS7; LGALS7B P47929 1/20 0.44
▸ CHRNA7 P36544 2/20 0.42
▸ F2 P00734 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PTPN1 P18031 3/20 0.40
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NT5E P21589 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25400709 0.88 NPC1 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL28758982 0.86 LGALS9 (0.41) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL28400811 0.84 NPC1 (0.39) LMNAPTPN1BCHE
SCHEMBL14305544 0.84 LGALS3 (0.54) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL14586559 0.83 LGALS3 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL12139431 0.83 LGALS3 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL26269274 0.83 LGALS3 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL10005361 0.83 LGALS3 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL4785477 0.82 PTPN1 (0.54) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL12140889 0.82 PTPN1 (0.54) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2359833-A1 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-08-24 — — EP disclosed
Send feedback